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arXiv:2010.07005 · Physical review. B./Physical review. B

Generalized diagonalization scheme for many-particle systems

Steffen Sykora, A. Hübsch, K. W. Becker

Published Oct 13, 2020• 9 citations
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Abstract

Despite the advances in the development of numerical methods analytical approaches still play the key role on the way towards a deeper understanding of many-particle systems. In this regard, diagonalization schemes for Hamiltonians represent an important direction in the field. Among these techniques the method, presented here, might be that approach with the widest range of possible applications: We demonstrate that both stepwise and continuous unitary transformations to diagonalize the many-particle Hamiltonian as well as perturbation theory and also nonperturbative treatments can be understood within the same theoretical framework. The new method is based on the introduction of generalized projection operators and allows us to develop a renormalization scheme which is used to evaluate directly the physical quantities of a many-particle system. The applicability of this approach is shown for two important elementary many-particle problems.

DOI
10.1103/physrevb.102.165122

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Despite the advances in the development of numerical methods analytical approaches still play the key role on the way towards a deeper understanding of many-particle systems. In this regard, diagonalization schemes for Hamiltonians represent an important direction in the field. Among these techniques the method, presented here, might be that approach with the widest range of possible applications: We demonstrate that both stepwise and continuous unitary transformations to diagonalize the many-particle Hamiltonian as well as perturbation theory and also nonperturbative treatments can be understood within the same theoretical framework. The new method is based on the introduction of generalized projection operators and allows us to develop a renormalization scheme which is used to evaluate directly the physical quantities of a many-particle system. The applicability of this approach is shown for two important elementary many-particle problems.
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The method of correlated basis functions provides a means of systematically exploiting our intuitive understanding of real physical systems. Here we seek especially to develop a formalism for describing systems of strongly interacting fermions, for example, nuclei and liquid He3{\mathrm{He}}^{3}He3, using a complete set of correlated functions ${\ensuremath{\Psi}}_{\mathrm{m}}=\frac{F{\ensuremath{\Phi}}_{\mathrm{m}}}{{({\ensuremath{\Phi}}_{\mathrm{m}}, {F}^{2}{\ensuremath{\Phi}}_{\mathrm{m}})}^{\frac{1}{2}}}$. FFF is taken as a product of two-body factors, $\ensuremath{\Pi}{i<j}^{}[f({r}_{\mathrm{ij}})]$, the f(rij)f({r}_{\mathrm{ij}})f(rij​) embodying at least the correlations arising from strong short-range repulsions; and ${{\ensuremath{\Phi}}_{\mathrm{m}}}$, a set of independent-particle-model functions which might serve as a basis in the absence of highly singular interactions. The matrix elements Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​, Nmn{\mathfrak{N}}_{\mathrm{mn}}Nmn​ of the Hamiltonian and identity operators with respect to the correlated basis ${{\ensuremath{\Psi}}_{\mathrm{m}}}$ are evaluated by generalization of cluster-expansion techniques developed originally for the calculation of the partition function of a classical imperfect gas and adapted to the quantum-mechanical many-body problem by Iwamoto and Yamada. Contributions to our expansions for the Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​ are classified according to order of magnitude in the quantity $\ensuremath{\rho}\ensuremath{\omega}$, where $\ensuremath{\omega}=\ensuremath{\int}({f}^{2}(r)\ensuremath{-}1)d\mathrm{r}$ is a "correlation parameter" and $\ensuremath{\rho}$ the average particle density. To the extent that $|\ensuremath{\rho}\ensuremath{\omega}|$ is small, it provides a true expansion parameter. A detailed technical discussion of the cluster expansions is given, with special emphasis on their symmetry properties upon truncation. Although the many-body problem is soluble by simultaneous diagonalization of the matrices (Hmn{\mathfrak{H}}_{\mathrm{mn}}Hmn​) and (Nmn{\mathfrak{N}}_{\mathrm{mn}}Nmn​), it is preferable first to transform to an orthonormal basis of "unperturbed" correlated functions ${{\ensuremath{\Theta}}_{\mathrm{m}}}$ with respect to which the Hamiltonian and identity operators have the matrix representations (Hmn{H}_{\mathrm{mn}}Hmn​) and $({N}_{\mathrm{mn}})=({\ensuremath{\delta}}_{\mathrm{mn}})$, and then to attempt the separate diagonalization of (Hmn{H}_{\mathrm{mn}}Hmn​). In general, such a transformation is expedited by the L\"owdin procedure carried out to the desired order in $\ensuremath{\rho}\ensuremath{\omega}$. However, a Schmidt orthogonalization scheme might prove more advantageous in specific cases. Field-theoretic techniques (of both perturbative and nonperturbative nature) may be brought to bear in the diagonalization of (Hmn{H}_{\mathrm{mn}}Hmn​). The inverse of the unitary transformation which takes the basis ${{\ensuremath{\Phi}}_{\mathrm{m}}}$ into the basis ${{\ensuremath{\Theta}}_{\mathrm{m}}}$, applied to the given singular Hamiltonian, leads---for any FFF in the class considered---to a non-singular "effective Hamiltonian." Following this formal cue, we set out to construct explicitly a second-quantized effective Hamiltonian which generates the same matrix elements, to prescribed order in $\ensuremath{\rho}\ensuremath{\omega}$, when operating between independent-particle kets of the model occupation-number representation, as does the given Hamiltonian in the configuration-space representation, between the corresponding correlated functions of the L\"owdin basis. The quasiparticles described by this effective Hamiltonian interact via well-behaved two-body, three-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}, QQQ-body, \ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{}\ifmmode\cdot\else\textperiodcentered\fi{} potentials, in contrast to the highly singular two-body interactions of the real particles. For small $|\ensuremath{\rho}\ensuremath{\omega}|$, the effective two-body forces predominate. An avenue to deeper understanding of the applicability of the nuclear-shell model and the dressed-quasiparticle theory of liquid He3{\mathrm{He}}^{3}He3 has been opened. This article treats only the formalism for a uniform extended medium. Numerical calculations, as well as the extension of the method to finite systems, will follow.
The investigation of the recently described generalized transformation theory which leads to a non-Hamiltonian description of dynamics is pursued. The concept of generalized unitary transformations of superoperators is introduced and a specific class of transformations studied. For nondissipative systems it is equivalent to the usual unitary transformations that diagonalize the Hamiltonian. The important point is that this class of transformations remains meaningful for dissipative systems, hence a new representation of dynamics that we shall call the "physical particle" representation. It has the following properties: (a) The energy (or an arbitrary function of the energy) is represented by a diagonal matrix. (b) In the ((0))II space (see these Proceedings, 65, 789 (1970)) corresponding to the coherent processes, the evolution can be described in terms of the changes in population of the physical particles. (c) At thermodynamic equilibrium, the physical particles are uncorrelated and behave as independent entities; the entropy has a purely combinatorial meaning.A full description of dynamics in this representation will be given in a forth-coming paper.
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Open quantum many-body systems are commonly described by Lindblad master equations, yet the treatment of Lindbladian operators in the thermodynamic limit remains a major challenge. We develop a framework for constructing effective quasiparticle-conserving Lindbladian operators directly in the thermodynamic limit. Our approach extends continuous similarity transformations to non-Hermitian open quantum systems and enables the systematic block diagonalization of Lindbladians with respect to the quasiparticle (qp) number. We formulate two complementary methods. The first, projective continuous similarity transformations (pcst++), generalizes perturbative continuous unitary transformations to Lindblad operators so that a linked-cluster expansion allows us to obtain high-order series expansions of the infinite system. The second, deepCST, extends directly evaluated enhanced perturbative continuous unitary transformations by combining the same qp-conserving generator with a perturbative truncation scheme that yields non-perturbative effective Lindbladian operators directly in thermodynamic limit. We apply pcst++ and deepCST to the dissipative transverse-field Ising chain with local dissipation. We focus on the low-Ising regime. We purify the Lindbladian by splitting each spin into two sites. A spin flip then corresponds to two qps. We derive and analyze the effective, qp-conserving Lindbladian in the sectors with zero to two qps. We show how the Ising interaction renormalizes the decay rates of elementary spin-flip excitations and provides the microscopic mechanism for a competition between coherent interactions and dissipation. Our work establishes perturbative and non-perturbative continuous similarity transformations as a versatile tool for deriving effective qp pictures of open quantum many-body systems in the thermodynamic limit.